P401
| Id | 401 |
| Inchikey | BNBQQYFXBLBYJK-UHFFFAOYSA-N |
| Smiles | c1ccc(-c2ncco2)nc1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.886163 |
| Binding_energy | -9.400552 |
| Ligand_energy | 25.780512944521412 |
| Placement | Placement_401 "DNV2_NS5A-x0160 w/ C401" |
| User | Review |
|---|---|
| max | Neutral |